#DFF:MSD
#Model Structure Data File    Energy = 0.0
PBC:   18.829588   18.829588   18.829588   90.000000   90.000000   90.000000  
90
1      C0     6    c1           c_4   -0.086000  -4.469573    -3.444485    -1.076179     1    UNK       1
2      C1     6    c1           c_4   -0.086000  -3.000443    -3.695636    -0.799586     1    UNK       6
3      C2     6    c1           c_4   -0.086000  -2.342469    -3.044736     0.394054     1    UNK       5
4      C3     6    c1           c_4   -0.086000  -3.064554    -1.941080     1.122868     1    UNK       4
5      C4     6    c1           c_4   -0.086000  -4.500350    -1.619933     0.787793     1    UNK       3
6      C5     6    c1           c_4   -0.086000  -5.190371    -2.340874    -0.336596     1    UNK       2
7      H6     1    h2           h_1    0.043000  -5.016081    -4.393951    -0.869086     1    UNK       1
8      H7     1    h2           h_1    0.043000  -4.569969    -3.230222    -2.174186     1    UNK       1
9      H8     1    h2           h_1    0.043000  -2.430479    -3.385126    -1.699507     1    UNK       6
10     H9     1    h2           h_1    0.043000  -2.869505    -4.802653    -0.683386     1    UNK       6
11     H10    1    h2           h_1    0.043000  -1.381004    -2.633252     0.037504     1    UNK       5
12     H11    1    h2           h_1    0.043000  -2.112922    -3.851002     1.134104     1    UNK       5
13     H12    1    h2           h_1    0.043000  -2.472459    -1.005047     0.976289     1    UNK       4
14     H13    1    h2           h_1    0.043000  -3.028912    -2.193489     2.212153     1    UNK       4
15     H14    1    h2           h_1    0.043000  -4.544755    -0.529519     0.551285     1    UNK       3
16     H15    1    h2           h_1    0.043000  -5.106790    -1.787515     1.711413     1    UNK       3
17     H16    1    h2           h_1    0.043000  -5.480736    -1.573619    -1.090907     1    UNK       2
18     H17    1    h2           h_1    0.043000  -6.128992    -2.779090     0.075922     1    UNK       2
19     C0     6    c1           c_4   -0.086000   5.488979    -1.608773    -1.033037     2    UNK       7
20     C1     6    c1           c_4   -0.086000   6.289895    -2.858763    -1.339601     2    UNK      12
21     C2     6    c1           c_4   -0.086000   6.316093    -3.993146    -0.342672     2    UNK      11
22     C3     6    c1           c_4   -0.086000   5.791448    -3.761916     1.050854     2    UNK      10
23     C4     6    c1           c_4   -0.086000   5.075092    -2.478212     1.391237     2    UNK       9
24     C5     6    c1           c_4   -0.086000   4.958979    -1.385934     0.364795     2    UNK       8
25     H6     1    h2           h_1    0.043000   4.615004    -1.593302    -1.725116     2    UNK       7
26     H7     1    h2           h_1    0.043000   6.136660    -0.727237    -1.288009     2    UNK       7
27     H8     1    h2           h_1    0.043000   7.341236    -2.550474    -1.515015     2    UNK      12
28     H9     1    h2           h_1    0.043000   5.896444    -3.276815    -2.302183     2    UNK      12
29     H10    1    h2           h_1    0.043000   7.371420    -4.307657    -0.251956     2    UNK      11
30     H11    1    h2           h_1    0.043000   5.744884    -4.845784    -0.786698     2    UNK      11
31     H12    1    h2           h_1    0.043000   6.657930    -3.853625     1.750152     2    UNK      10
32     H13    1    h2           h_1    0.043000   5.087772    -4.601793     1.276613     2    UNK      10
33     H14    1    h2           h_1    0.043000   5.594479    -2.039000     2.276811     2    UNK       9
34     H15    1    h2           h_1    0.043000   4.037957    -2.746161     1.709800     2    UNK       9
35     H16    1    h2           h_1    0.043000   5.479918    -0.490654     0.775978     2    UNK       8
36     H17    1    h2           h_1    0.043000   3.877393    -1.131976     0.270503     2    UNK       8
37     C0     6    c1           c_4   -0.086000   6.001496    -1.394163     10.136352    3    UNK      13
38     C1     6    c1           c_4   -0.086000   4.914889    -1.414417     9.079565     3    UNK      18
39     C2     6    c1           c_4   -0.086000   4.466109    -2.732331     8.493838     3    UNK      17
40     C3     6    c1           c_4   -0.086000   5.287261    -3.969844     8.748600     3    UNK      16
41     C4     6    c1           c_4   -0.086000   6.433020    -3.934419     9.729877     3    UNK      15
42     C5     6    c1           c_4   -0.086000   6.816888    -2.640746     10.392593    3    UNK      14
43     H6     1    h2           h_1    0.043000   5.523889    -1.106406     11.101821    3    UNK      13
44     H7     1    h2           h_1    0.043000   6.720613    -0.577072     9.859153     3    UNK      13
45     H8     1    h2           h_1    0.043000   5.253424    -0.777749     8.236250     3    UNK      18
46     H9     1    h2           h_1    0.043000   4.009101    -0.928290     9.526067     3    UNK      18
47     H10    1    h2           h_1    0.043000   4.413585    -2.588433     7.399582     3    UNK      17
48     H11    1    h2           h_1    0.043000   3.428075    -2.928480     8.860502     3    UNK      17
49     H12    1    h2           h_1    0.043000   5.702834    -4.299492     7.765315     3    UNK      16
50     H13    1    h2           h_1    0.043000   4.579653    -4.763319     9.096750     3    UNK      16
51     H14    1    h2           h_1    0.043000   7.337536    -4.304520     9.189705     3    UNK      15
52     H15    1    h2           h_1    0.043000   6.203682    -4.667915     10.541243    3    UNK      15
53     H16    1    h2           h_1    0.043000   7.866325    -2.415589     10.092657    3    UNK      14
54     H17    1    h2           h_1    0.043000   6.812183    -2.817029     11.493554    3    UNK      14
55     C0     6    c1           c_4   -0.086000  -3.766461     5.758892    -1.135924     4    UNK      19
56     C1     6    c1           c_4   -0.086000  -2.780061     5.589462     0.002597     4    UNK      24
57     C2     6    c1           c_4   -0.086000  -2.887404     6.473471     1.222591     4    UNK      23
58     C3     6    c1           c_4   -0.086000  -3.777332     7.688590     1.176274     4    UNK      22
59     C4     6    c1           c_4   -0.086000  -4.695091     7.915551     0.000210     4    UNK      21
60     C5     6    c1           c_4   -0.086000  -4.661713     6.976118    -1.173028     4    UNK      20
61     H6     1    h2           h_1    0.043000  -4.427516     4.861112    -1.142247     4    UNK      19
62     H7     1    h2           h_1    0.043000  -3.176666     5.750110    -2.091786     4    UNK      19
63     H8     1    h2           h_1    0.043000  -1.760030     5.724245    -0.412738     4    UNK      24
64     H9     1    h2           h_1    0.043000  -2.861953     4.529417     0.357186     4    UNK      24
65     H10    1    h2           h_1    0.043000  -1.863455     6.820605     1.450382     4    UNK      23
66     H11    1    h2           h_1    0.043000  -3.225994     5.833123     2.074496     4    UNK      23
67     H12    1    h2           h_1    0.043000  -3.116887     8.585863     1.259538     4    UNK      22
68     H13    1    h2           h_1    0.043000  -4.417905     7.657291     2.092903     4    UNK      22
69     H14    1    h2           h_1    0.043000  -4.474765     8.936810    -0.393993     4    UNK      21
70     H15    1    h2           h_1    0.043000  -5.743035     7.924997     0.388351     4    UNK      21
71     H16    1    h2           h_1    0.043000  -4.367576     7.574497    -2.066003     4    UNK      20
72     H17    1    h2           h_1    0.043000  -5.703220     6.614200    -1.338836     4    UNK      20
73     C0     6    c1           c_4   -0.086000  -3.958429     8.226088     9.329886     5    UNK      25
74     C1     6    c1           c_4   -0.086000  -4.951362     7.280527     8.683417     5    UNK      30
75     C2     6    c1           c_4   -0.086000  -4.833018     5.793919     8.922937     5    UNK      29
76     C3     6    c1           c_4   -0.086000  -3.579889     5.246896     9.556234     5    UNK      28
77     C4     6    c1           c_4   -0.086000  -2.539513     6.184202     10.118371    5    UNK      27
78     C5     6    c1           c_4   -0.086000  -2.706891     7.670853     9.970088     5    UNK      26
79     H6     1    h2           h_1    0.043000  -4.504905     8.800233     10.113955    5    UNK      25
80     H7     1    h2           h_1    0.043000  -3.633010     8.957260     8.541788     5    UNK      25
81     H8     1    h2           h_1    0.043000  -4.904993     7.441856     7.586624     5    UNK      30
82     H9     1    h2           h_1    0.043000  -5.973247     7.587839     9.026121     5    UNK      30
83     H10    1    h2           h_1    0.043000  -4.946813     5.306707     7.937779     5    UNK      29
84     H11    1    h2           h_1    0.043000  -5.700552     5.484211     9.556889     5    UNK      29
85     H12    1    h2           h_1    0.043000  -3.073335     4.609718     8.790971     5    UNK      28
86     H13    1    h2           h_1    0.043000  -3.903839     4.575644     10.390500    5    UNK      28
87     H14    1    h2           h_1    0.043000  -1.566351     5.916802     9.640497     5    UNK      27
88     H15    1    h2           h_1    0.043000  -2.447083     5.967765     11.210863    5    UNK      27
89     H16    1    h2           h_1    0.043000  -1.840193     8.042391     9.376143     5    UNK      26
90     H17    1    h2           h_1    0.043000  -2.632297     8.117067     10.989177    5    UNK      26
90
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20     21     1     
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24     19     1     
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24     35     1     
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37     38     1     
38     39     1     
39     40     1     
40     41     1     
41     42     1     
42     37     1     
37     43     1     
37     44     1     
38     45     1     
38     46     1     
39     47     1     
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40     49     1     
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42     53     1     
42     54     1     
55     56     1     
56     57     1     
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59     60     1     
60     55     1     
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73     74     1     
74     75     1     
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78     73     1     
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78     89     1     
78     90     1     
